| SpectraBase Compound ID | I5KMzrLhRlP |
|---|---|
| InChI | InChI=1S/C12H12O3S2/c1-15-10-4-6-12(7-5-10)17(13,14)9-11-3-2-8-16-11/h2-8H,9H2,1H3 |
| InChIKey | VXJCGOHJRBHOSB-UHFFFAOYSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C12H12O3S2 |
| Exact Mass | 268.022787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Axcbb8m0Rg |
|---|---|
| Name | (2-Thienylmethyl)(4-methoxyphenyl)sulphone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.022786591 u |
| Formula | C12H12O3S2 |
| InChI | InChI=1S/C12H12O3S2/c1-15-10-4-6-12(7-5-10)17(13,14)9-11-3-2-8-16-11/h2-8H,9H2,1H3 |
| InChIKey | VXJCGOHJRBHOSB-UHFFFAOYSA-N |
| SMILES | C(S(C=1C=CC(=CC1)OC)(=O)=O)C=1SC=CC1 |